⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL965678 | 0.97 | ALDH1A1 (0.50) | — | |
| SCHEMBL965482 | 0.95 | ALDH1A1 (0.53) | — | |
| SCHEMBL11084903 | 0.95 | ALDH1A1 (0.53) | — | |
| SCHEMBL11078920 | 0.95 | ALDH1A1 (0.53) | — | |
| Hydrochloric Acid SCHEMBL11630431 | 0.95 | ALDH1A1 (0.48) | — | |
| Hydrochloric Acid SCHEMBL11628512 | 0.93 | ALDH1A1 (0.52) | — | |
| SCHEMBL217412 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL4471911 | 0.89 | — | — | |
| SCHEMBL15191474 | 0.84 | L3MBTL3 (0.38) | — | |
| SCHEMBL481634 | 0.82 | ALDH1A1 (0.35) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2903979-B1 | NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES | INHIBIKASE THERAPEUTICS INC (US) | 2020-08-19 | — | — | EP | claimed |
| CN-113993519-A | Degradation agent for cyclin dependent kinase 12(CDK12) and use thereof | 达纳-法伯癌症研究公司 | 2022-01-28 | — | — | CN | disclosed |
| WO-2017017630-A1 | NOVEL BETULINIC SUBSTITUTED AMIDE DERIVATIVES AS HIV INHIBITORS | HETERO RESEARCH FOUNDATION (IN) | 2017-02-02 | — | — | WO | disclosed |
| EP-2763990-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-08-13 | — | — | EP | disclosed |
| EP-2128139-B1 | FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME | MITSUI CHEMICALS AGRO INC (JP) | 2013-08-07 | — | — | EP | disclosed |
| EP-2579872-A1 | INHIBITORS OF AKT ACTIVITY | Merck Sharp & Dohme Corp. (US) | 2013-04-17 | — | — | EP | disclosed |
| WO-2013030138-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-03-07 | — | — | WO | disclosed |
| US-8344156-B2 | Method for producing fluorine-containing acylacetic acid derivative, method for producing fluorine-containing pyrazolecarboxylic acid ester derivative, and method for producing fluorine-containing pyrazolecarboxylic acid derivative | MITSUI CHEMICALS AGRO, INC. (JP) | 2013-01-01 | — | — | US | disclosed |
| WO-2011133733-A1 | INHIBITORS OF AKT ACTIVITY | MERCK SHARP & DOHME CORP. (US) | 2011-10-27 | — | — | WO | disclosed |
| US-7884216-B2 | Fluorine-containing pyrazolecarbonitrile derivative and method for producing the same, and fluorine-containing pyrazolecarboxylic acid derivative obtained by using the fluorine-containing pyrazolecarbonitrile derivative and method for producing the same | MITSUI CHEMICALS AGRO, INC. (JP) | 2011-02-08 | — | — | US | disclosed |
| US-20110015406-A1 | METHOD FOR PRODUCING FLUORINE-CONTAINING ACYLACETIC ACID DERIVATIVE, METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID ESTER DERIVATIVE, AND METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE | MITSUI CHEMICALS AGRO, INC. (JP) | 2011-01-20 | — | — | US | disclosed |
| EP-2263999-A1 | METHOD FOR PRODUCING FLUORINE-CONTAINING ACYLACETIC ACID DERIVATIVE, METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID ESTER DERIVATIVE, AND METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE | Mitsui Chemicals Agro, Inc. (JP) | 2010-12-22 | — | — | EP | disclosed |
| EP-2231695-A1 | ANTITUMORAL COMPOUNDS | Pharma Mar S.A. (ES) | 2010-09-29 | — | — | EP | disclosed |
| US-20100016612-A1 | FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME | MITSUI CHEMICALS AGRO, INC (JP) | 2010-01-21 | — | — | US | disclosed |
| EP-2128139-A1 | FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME | MITSUI CHEMICALS AGRO, INC. (JP) | 2009-12-02 | — | — | EP | disclosed |
| WO-2009077401-A1 | ANTITUMORAL COMPOUNDS | PHARMA MAR, S.A. (ES) | 2009-06-25 | — | — | WO | disclosed |